(1-benzoylpiperidin-4-yl)-(4-fluorophenyl)methanone

C19H18FNO2 — CID 1437062

IUPAC(1-benzoylpiperidin-4-yl)-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H18FNO2/c20-17-8-6-14(7-9-17)18(22)15-10-12-21(13-11-15)19(23)16-4-2-1-3-5-16/h1-9,15H,10-13H2
InChIKeyQQLJBRVQBGRWLJ-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.56
Rot. Bonds3

About (1-benzoylpiperidin-4-yl)-(4-fluorophenyl)methanone

(1-benzoylpiperidin-4-yl)-(4-fluorophenyl)methanone (PubChem CID 1437062) has the molecular formula C19H18FNO2 and a molecular weight of 311.36 g/mol. Its IUPAC name is (1-benzoylpiperidin-4-yl)-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name(1-benzoylpiperidin-4-yl)-(4-fluorophenyl)methanone
PubChem CID1437062
Molecular FormulaC19H18FNO2
Molecular Weight311.36 g/mol
Exact Mass311.13
IUPAC Name(1-benzoylpiperidin-4-yl)-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C19H18FNO2/c20-17-8-6-14(7-9-17)18(22)15-10-12-21(13-11-15)19(23)16-4-2-1-3-5-16/h1-9,15H,10-13H2
InChIKeyQQLJBRVQBGRWLJ-UHFFFAOYSA-N
XLogP3.56
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1-benzoylpiperidin-4-yl)-(4-fluorophenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-benzoylpiperidin-4-yl)-(4-fluorophenyl)methanone?
The IUPAC name of (1-benzoylpiperidin-4-yl)-(4-fluorophenyl)methanone (CID 1437062) is (1-benzoylpiperidin-4-yl)-(4-fluorophenyl)methanone.
What is the SMILES notation for (1-benzoylpiperidin-4-yl)-(4-fluorophenyl)methanone?
The canonical SMILES for (1-benzoylpiperidin-4-yl)-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)C1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of (1-benzoylpiperidin-4-yl)-(4-fluorophenyl)methanone?
The InChIKey is QQLJBRVQBGRWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO2/c20-17-8-6-14(7-9-17)18(22)15-10-12-21(13-11-15)19(23)16-4-2-1-3-5-16/h1-9,15H,10-13H2.
What are the key properties of (1-benzoylpiperidin-4-yl)-(4-fluorophenyl)methanone?
(1-benzoylpiperidin-4-yl)-(4-fluorophenyl)methanone has a molecular weight of 311.36 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzoylpiperidin-4-yl)-(4-fluorophenyl)methanone is sourced from PubChem (CID 1437062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).